N-(3-ethoxy-2,2-dimethylcyclobutyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine

C16H24N4O — CID 64850742

IUPACN-(3-ethoxy-2,2-dimethylcyclobutyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
SMILESCCOC1CC(Nc2cnc3c(c2)c(C)nn3C)C1(C)C
InChIInChI=1S/C16H24N4O/c1-6-21-14-8-13(16(14,3)4)18-11-7-12-10(2)19-20(5)15(12)17-9-11/h7,9,13-14,18H,6,8H2,1-5H3
InChIKeyUBNDZDPPPLWREU-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.89
Rot. Bonds4

About N-(3-ethoxy-2,2-dimethylcyclobutyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine

N-(3-ethoxy-2,2-dimethylcyclobutyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine (PubChem CID 64850742) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is N-(3-ethoxy-2,2-dimethylcyclobutyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine.

Molecular Properties

Compound NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
PubChem CID64850742
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
SMILESCCOC1CC(Nc2cnc3c(c2)c(C)nn3C)C1(C)C
InChIInChI=1S/C16H24N4O/c1-6-21-14-8-13(16(14,3)4)18-11-7-12-10(2)19-20(5)15(12)17-9-11/h7,9,13-14,18H,6,8H2,1-5H3
InChIKeyUBNDZDPPPLWREU-UHFFFAOYSA-N
XLogP2.89
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine?
The IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine (CID 64850742) is N-(3-ethoxy-2,2-dimethylcyclobutyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine.
What is the SMILES notation for N-(3-ethoxy-2,2-dimethylcyclobutyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine?
The canonical SMILES for N-(3-ethoxy-2,2-dimethylcyclobutyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine is CCOC1CC(Nc2cnc3c(c2)c(C)nn3C)C1(C)C.
What is the InChIKey of N-(3-ethoxy-2,2-dimethylcyclobutyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine?
The InChIKey is UBNDZDPPPLWREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-6-21-14-8-13(16(14,3)4)18-11-7-12-10(2)19-20(5)15(12)17-9-11/h7,9,13-14,18H,6,8H2,1-5H3.
What are the key properties of N-(3-ethoxy-2,2-dimethylcyclobutyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine?
N-(3-ethoxy-2,2-dimethylcyclobutyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine has a molecular weight of 288.40 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-2,2-dimethylcyclobutyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine is sourced from PubChem (CID 64850742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).